Geometry & MOs

Info

ID:	383440
PubChem CID:	134975170
Reduced:	O7C13H22 (1)
Stoich.:	A7B13C22 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-333.93
Dipole, Da:	4.32
IP(EA), eV:	-10.16(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,2R,2aS,4R,6aR,7S)-2,6a-dimethyl-4-propan-2-yl-1a,2a,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene-2,7-diol

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H]1CC[C@](O1)(C)[C@@H](C(=O)OCC)O)O

DOS

IR

Vibrations